About

Arieh Warshel

Professor of Chemistry and Biochemistry

Contact Information
E-mail: warshel@usc.edu
Phone: (213) 740-4114
Office: SGM 406

LINKS
Curriculum Vitae
Faculty Profile on Departmental Website
 

Education
B.S. , Technion, Haifa, Israel, 1/1966
M.S. , Weizmann Institute, Israel, 1/1967
Ph.D. , Weizmann Institute, Israel, 1/1969
 

Description of Research

Summary Statement of Research Interests
Professor Warshel researches problems in modern biophysical chemistry. He and his coworkers have pioneered several of the most effective models for computer simulations of biological molecule. His early works paved the way for quantitative theoretical studies of enzymatic reactions. He also studies the energetics and dynamics of chemical processes in solution, which include the use and development of various QM/MM approaches and related models for quantitative simulations of chemical reactions in solutions.
 

Funded Research

Contracts and Grants Awarded
The origin of the fidelity of DNA polymerase-Fidelity Mechanism: Theory and Experiment (NCI), Myron Goodman, Arieh Warshel, Sam Wilson, $3,350,186, 2008-2013  
Structure function correlation of G-Proteins (NSF), Arieh Warshel, $780,000, 04/01/2009-03/30/2013  
Computer Simulation of Enzymatic Reactions (NIH-NIH), Arieh Warshel, $1,513,050, 04/01/2006-03/31/2010  
Structure Function Correlation of G-Proteins (NSF), Arieh Warshel, $710,000, 07/01/2004-06/30/2009  
The Origin of the Fidelity of DNA Polymerase-Fidelity Mechanism: Theory and Experiment (NCI), Myron Goodman, Arieh Warshel, Sam Wilson, $3,577,717, 2004-2008  
Computer Stimulation Of Electron And Proton Transfer (Nat Inst of General Medical Sciences (NIGMS)), Warshel, Arieh, $946,227, 08/01/2005-07/31/2008  
 

Conferences and Other Presentations

Conference Presentations
"Computer Simulations of Biological Functions", WATOC Congress, Lecture/Seminar, , Sydney, Australia, Invited, Fall 2008   
"Hidden Principles of Enzyme Design", ESF-EMBO Symposium on Protein Design and Evolution For Biocatalysis, Lecture/Seminar, , San Feliu, Spain, ESF-EMBO , Invited, Fall 2008   
"Computer Simulations can Bridge Between Experimental Studies of Enzymes and Their Interpretation: Recent Confirmations of the Electrostatic Idea an Additional Evidences That Enzyme Catalysis Does not Involve Dynamical Effects", Gordon Research Conference on Isotopes in biological and Chemical Sciences, Lecture/Seminar, , ventura, Invited, Spring 2008   
"Computer Simulations of Biological Functions", Wenner-Gren Foundation Symposium on Theoretical Biochemistry, Lecture/Seminar, , Stockholm, Wenner-Gren Foundation , Invited, Spring 2008   
"Electrostatic basis For Structure –Function Correlation in Proteins: Examples, validations and Challenges", Workshop on protein Electrostatics, Lecture/Seminar, , Telluride, Colorado, Invited, Spring 2008   
"Electrostatic basis of Biological Energy Conversion and the fuel of Biological Motors", Molecular Frontiers Symposium, Royal Swedish Academy of science, Lecture/Seminar, , Stockholm, Royal Swedish Academy of science, Invited, Spring 2008   
"Consistent and Effective Sampling in ab initio QM/MM Simulations", ACS National Meeting, Lecture/Seminar, , Boston, MA, Invited, Fall 2007   
"Modeling Enzyme Catalysis ", Symposium on 40 Year of Structural Molecular Biology ( Levitt 60 Birthday ) , Lecture/Seminar, , Stanford, Invited, Fall 2007   
"Challenges in Calculations of Electrostatic Energies in Macromolecules", ACS National Meeting, Lecture/Seminar, , Chicago, IL, Invited, Spring 2007   
"Computer Simulations of Photobiological Reactions: ADvances and Problems", ACS National Meeting, Talk/Oral Presentation, , Boston, MA, Invited, Spring 2007   
"Effective Strategies for Unraveling Microscopic Energetic adn Dynamics of Proton Transport in Complex Systems: From QM/MM to Monte Carlo EVB Based Mod", ICTP Workshop, Lecture/Seminar, , Trieste, Italy, Invited, Spring 2007   
"How Do Enzymes REally Work?", John Stauffer Symposium, USC, Talk/Oral Presentation, , Los Angeles, CA, Invited, Spring 2007   
"Looking for Key Factors in Enzyme Catalysis; Some Recent Confirmation of the Electrostatic Idea", Isotopes 2007, Lecture/Seminar, , Benicassim, Spain, Invited, Spring 2007   
"Looking for Key Factors in Enzyme Catalysis; Some Recent Confirmation of the Electrostatic Idea and Additional Advances that Enzyme Catalysis Does not", EMBO Workshop, Lecture/Seminar, , Hamburg, Germany, Invited, Spring 2007   
"Modeling Enzyme Catalysis", Symposium on 40 Year of Structural Molecular Biology, Talk/Oral Presentation, , Stanford, CA, Invited, Spring 2007   
"On Accuracy and Reliability in Simulations of Enzyme Catalysis", ACS National Meeting, Lecture/Seminar, , Chicago, IL, Invited, Spring 2007   
"Quantitative Results in QM/MM Calculations of Biological Systems", APS National Meeting, Talk/Oral Presentation, , Bolder, CO, Invited, Spring 2007   
"Simulating Drug Resistance", Gordon Research Conference on Computer Aided Drug Design, Talk/Oral Presentation, , Tilton, Invited, Spring 2007   
"Simulating Proton Transport and Ion Transport", Molecular Dymanics Conference on Conductance in Molecules, Lecture/Seminar, , Fritz Haber Center, HUJI, Israel, Invited, Spring 2007   
"Computer Simulations as a Powerful Tool for Probing the Origin of Enzyme Catalysis", A Symposium on Enzyme Catalysis of the SFBM, Lecture/Seminar, , Uppsala, Sweden, Invited, Fall 2006   
"Computer Simulations of the Action of Metalloenzymes; Methods and Insights", Urobic8, Lecture/Seminar, , Avero, Protugal, Invited, Fall 2006   
"From Macroscopic to Microscopic Descriptions of Electron Transfer and Proton Transfer Reactions: Quantifying Marcus Parabolas", ACS National Meeting, Lecture/Seminar, , San FRancisco, CA, Invited, Fall 2006   
"Recent Advances in Simulation of Biological Functions", Gordon Conference on Computational Chemistry, Lecture/Seminar, , Les Diablerets, Switzerland, Invited, Fall 2006   
"Capturing the Nature of Biochemical Processes by Molecular Simulations ", Seventh Meeting of the Swedish Theoretical Chemists , Keynote Lecture, , Stockholm, Sweden , Invited, Spring 2006   
"Computer Simulations of Proton Transport in Proteins ", Gordon Research Conference on Protons and Membrane Reactions , Lecture/Seminar, , Ventura, CA , Invited, Spring 2006   
"Computer Simulations of the Function of Biological Molecules; What has been Accomplished and Where are We Going?", ISQBP President's Meeting: The 2006 President's Award Lecture, Keynote Lecture, , Strasburg, France, Invited, Spring 2006   
 

Other Presentations
"Computer simulations of phosphate hydrolysis in biology: Facts fictions and open questions", talk, Departement of Biology Uppsala University, Uppsala University, Sweden, Spring 2008   
"Dynamical Contributions to Enzyme Catalysis: Critical Tests of a problematic Hypothesis", lecture, Department of Computational Biology, University of Pittsburg Scholl of Medicine, Pittsburg,USA, Spring 2008   
"Dynamical Contributions to Enzyme Catalysis: Critical Tests of a problematic Hypothesis", talk, Department of Chemistry, University of California, Davis,, Davis,USA, Spring 2008   
"Electrostatic Control of Bioenergetics", lecture, Department of Chemistry Chalmers University, Gothenburg, Sweden, Spring 2008   
"on The control of Proton Transport and Ion Transport in Biology: What Can be Learned From Consistent Simulations", lecture, California Institute of Quantitative Biomedical research (invitational Speakers Series), San Francisco, USA, Spring 2008   
"on the Nature of Proton Transport in Cytochrome c Oxidase and Other Biological Systems; What Can Be Learned From Consistent Simulation Studies", lecture, Stockholm University, Stockholm, Sweden, Spring 2008   
"on the Nature of Proton Transport in Cytochrome c Oxidase and other Biological Systems; What Can Be Learned From Consistent Simulation Studies].", lecture, Max Planck Institute for Biophysics, Frankfurt, Germany, Spring 2008   
"On the Nature of Proton Transport in Cytochrome c Oxidase and Other Biological Systems; What Can Be Learned From Consistent Simulation Studies].", lecture, Department of Biophysics, Johns Hopkins University, Baltimore,USA, Spring 2008   
"Computer Simulation of Biological Functions ", lecture, Department of Biochemistry and Biophysics, University of Pennsylvania , Pennsylvania, USA , Fall 2007   
"Computer Simulations of Enzymatic Reactions ", Talk, Department of Chemistry, University of Zurich , Zurich, Switzerland , Spring 2007   
"Computer Simulations of Very Fast and Extremely Slow Biological Processes ", Talk, ETH Colloquium Fur Physicalische Chemie , Zurich, Switzerland , Spring 2007   
"Simulating Enzyme Catalysis ", Talk, Department of Chemistry , Lublijana, Slovenia , Spring 2007   
"Computer Simulations of Enzymatic Reactions ; finding Out what are the catalytic principles that really Work?", Talk, Department of Chemistry, University of Wisconsin, Wisconsin, Madison, Spring 2006   
"Computer Simulations of Enzymatic Reactions ; finding Out what are the catalytic principles that really Work?] ", Talk, Department of Chemistry, University of Alberta, Edmonton, Canada, Spring 2006   
"Computer Simulations of Enzymatic Reactions: Finding Out What are the Catalytic Principles that Really Work ", Talk, Department of Chemistry, University of Calgary, Calgary, Canada , Spring 2006   
"Molecular Dynamics Simulations of Biological Functions: Finding Out What Dynamical Effects Where Actually Optimized by Evolution? ", Talk, Chalmers University , Chalmers, Sweden , Spring 2006   
"Molecular dynamics simulations of biological functions: Finding out what dynamical effects where actually optimized by evolution?", Talk, Lund University, Lund, Sweden, Spring 2006   
"Molecular dynamics simulations of biological functions: Finding out what dynamical effects where actually optimized by evolution?", Talk, Uppsala University, Uppsala, Sweden, Spring 2006   
 

Other Research
Sabatical, Spring 2007   
 

Publications

Book
Parson, W. W., Warshel, A. (2008). Calculations of Electrostatic Energies in Proteins: Using Microscopic, Semimicroscopic and Macroscopic Models and Free Energy Perturbation Approaches. (Aartmas, J., Matysik, J., Ed.). Biophysical Techniques in Photosystem IISpringer.
Kato, M., Warshel, A., Braun-Sand, S. (2008). Challenges and Progresses in Calculations of Binding Free Energies – What Does it Take to Quantify Electrostatic Contributions to Protein–Ligand Interactions?. (Stroud, R. M., Finer –Moore, J., Ed.). Computational and Structural Approaches to Drug DiscoveryRSC Publishing.
Parson, W. W., Warshel, A. (2008). Calculations of Electrostatic Energies in Proteins: Using Microscopic, Semimicroscopic and Macroscopic Models and Free Energy Perturbation Approaches. (Aartmas, J., Matysik, J., Ed.). Biophysical Techniques in Photosystem IISpringer.
 

Book Chapter
Braun-Sand, S., Warshel, A. (2005). Electrostatics of Protein: Principles, Models and Applications. pp. p.N/A. Weinheim: Protein Folding Handbook, Part I.
 

Journal Article
Kamerlin, S. C., Williams, N. H., Warshel, A. (2008). Dineopentyl phosphate hydrolysis: evidence for stepwise water attack. J Org Chem. Vol. 73 (18), pp. 6960-9.
Roca, M., Messer, B., Hilvert, D., Warshel, A. (2008). On the relationship between folding and chemical landscapes in enzyme catalysis. Proc Natl Acad Sci U S A. Vol. 105 (37), pp. 13877-82.
Haranczyk, M., Gutowski, M., Warshel, A. (2008). Solvation free energies of molecules. The most stable anionic tautomers of uracil. Phys Chem Chem Phys. Vol. 10 (30), pp. 4442-8.
Pisliakov, A. V., Sharma, P. K., Chu, Z. T., Haranczyk, M., Warshel, A. (2008). Electrostatic basis for the unidirectionality of the primary proton transfer in cytochrome c oxidase. Proc Natl Acad Sci U S A. Vol. 105 (22), pp. 7726-31.
Kamerlin, S. C., Florian, J., Warshel, A. (2008). Associative versus dissociative mechanisms of phosphate monoester hydrolysis: on the interpretation of activation entropies. Chemphyschem. Vol. 9 (12), pp. 1767-73.
Rosta, E., Haranczyk, M., Chu, Z. T., Warshel, A. (2008). Accelerating QM/MM free energy calculations: representing the surroundings by an updated mean charge distribution. J Phys Chem B. Vol. 112 (18), pp. 5680-92.
Sucato, C. A., Upton, T. G., Kashemirov, B. A., Osuna, J., Oertell, K., Beard, W. A., Wilson, S. H., Florian, J., Warshel, A., McKenna, C. E., Goodman, M. F. (2008). DNA polymerase beta fidelity: halomethylene-modified leaving groups in pre-steady-state kinetic analysis reveal differences at the chemical transition state. Biochemistry. Vol. 47 (3), pp. 870-9.
Rosta, E., Kamerlin, S. C., Warshel, A. (2008). On the interpretation of the observed linear free energy relationship in phosphate hydrolysis: a thorough computational study of phosphate diester hydrolysis in solution. Biochemistry. Vol. 47 (12), pp. 3725-35.
Braun-Sand, S., Sharma, P. K., Chu, Z. T., Pisliakov, A. V., Warshel, A. (2008). The energetics of the primary proton transfer in bacteriorhodopsin revisited: it is a sequential light-induced charge separation after all. Biochim Biophys Acta. Vol. 1777 (5), pp. 441-52.
Ishikita, H., Warshel, A. (2008). Predicting drug-resistant mutations of HIV protease. Angew Chem Int Ed Engl. Vol. 47 (4), pp. 697-700.
Warshel, A., Jacob, C. R., Visscher, L. (2008). A subsystem density-functional theory approach for the quantum chemical treatment of proteins. J Chem Phys. Vol. 128 (15), pp. 155102.
Mavri, J., Liu, H., Olsson, M. H., Warshel, A. (2008). Simulation of tunneling in enzyme catalysis by combining a biased propagation approach and the quantum classical path method: application to lipoxygenase. J Phys Chem B. Vol. 112 (19), pp. 5950-4.
Xiang, Y., Goodman, M. F., Beard, W. A., Wilson, S. H., Warshel, A. (2008). Exploring the role of large conformational changes in the fidelity of DNA polymerase beta. Proteins. Vol. 70 (1), pp. 231-47.
Xiang, Y., Warshel, A. (2008). Quantifying free energy profiles of proton transfer reactions in solution and proteins by using a diabatic FDFT mapping. J Phys Chem B. Vol. 112 (3), pp. 1007-15.
Roca, M., Liu, H., Messer, B., Warshel, A. (2007). On the relationship between thermal stability and catalytic power of enzymes. Biochemistry. Vol. 46 (51), pp. 15076-88.
Liu, H., Warshel, A. (2007). Origin of the temperature dependence of isotope effects in enzymatic reactions: The case of dihydrofolate reductase. Journal of Physical Chemistry B. Vol. 111, pp. 7852-7861.
Liu, H., Warshel, A. (2007). Origin of the temperature dependence of isotope effects in enzymatic reactions: the case of dihydrofolate reductase. J Phys Chem B. Vol. 111 (27), pp. 7852-61.
Liu, H., Warshel, A. (2007). The catalytic effect of dihydrofolate reductase and its mutants is determined by reorganization energies. Biochemistry. Vol. 46, pp. 6011-6025.
Roca, M., Messer, B., Warshel, A. (2007). Electrostatic contributions to protein stability and folding energy. FEBS Letters. Vol. 581, pp. 2065-2071.
Sharma, P. K., Chu, Z. T., Olsson, M. H., Warshel, A. (2007). A new paradigm for electrostatic catalysis of radical reactions in vitamin B12 enzymes. Proceedings of the National Academy of Sciences of the United States of America. Vol. 104, pp. 9661-9666.
Sharma, P. K., Chu, Z. T., Olsson, M. H., Warshel, A. (2007). A new paradigm for electrostatic catalysis of radical reactions in vitamin B12 enzymes. Proc Natl Acad Sci U S A. Vol. 104 (23), pp. 9661-6.
Oelschlaeger, P., Klahn, M., Beard, W. A., Wilson, S. H., Warshel, A. (2007). Magnesium-cationic dummy atom molecules enhance representation of DNA polymerase beta in molecular dynamics simulations: Improved accuracy in studies of structural features and mutational effects. Journal of Molecular Biology. Vol. 366 (2), pp. 687-701.
Liu, H., Warshel, A. (2007). The catalytic effect of dihydrofolate reductase and its mutants is determined by reorganization energies. Biochemistry. Vol. 46 (20), pp. 6011-25.
Oelschlaeger, P., Klahn, M., Beard, W. A., Wilson, S. H., Warshel, A. (2007). Magnesium-cationic dummy atom molecules enhance representation of DNA polymerase beta in molecular dynamics simulations: improved accuracy in studies of structural features and mutational effects. J Mol Biol. Vol. 366 (2), pp. 687-701.
Olsson, M. H., Slegbahn, P. E., Blomberg, M. R., Warshel, A. (2007). Exploring pathways and barriers for coupled ET/PT in cytochrome c oxidase: A general framework for examining energetics and mechanistic alternatives. Biochimica Et Biophysica Acta-Bioenergetics. Vol. 1767, pp. 244-260.
Warshel, A., Sharma, P. K., Chu, Z. T., Aqvist, J. (2007). Electrostatic contributions to binding of transition state analogues can be very different from the corresponding contributions to catalysis: phenolates binding to the oxyanion hole of ketosteroid isomerase. Biochemistry. Vol. 46 (6), pp. 1466-76.
Martínek, V., Bren, U., Goodman, M. F., Warshel, A., Florián, J. (2007). DNA polymerase beta catalytic efficiency mirrors the Asn279-dCTP H-bonding strength. FEBS Letters. Vol. 581, pp. 775-780.
Sucato, C. A., Upton, T. G., Kashemirov, B. A., Batra, V. K., Martinek, V., Xiang, Y., Beard, W. A., Pedersen, L. C., Wilson, S. H., McKenna, C. E., Florian, J., Goodman, M. F., Warshel, A. (2007). Modifying the beta,gamma leaving-group bridging oxygen alters nucleotide incorporation efficiency, fidelity, and the catalytic mechanism of DNA polymerase beta. Biochemistry. Vol. 46, pp. 461-471.
Warshel, A., Sharma, P. K., Chu, Z. T., Aqvist, J. (2007). Electrostatic contributions to binding of transition state analogues can be very different from the corresponding contributions to catalysis: Phenolates binding to the oxyanion hole of ketosteroid isomerase. Biochemistry. Vol. 46, pp. 1466-1476.
Olsson, M. H., Siegbahn, P. E., Blomberg, M. R., Warshel, A. (2007). Exploring pathways and barriers for coupled ET/PT in cytochrome c oxidase: a general framework for examining energetics and mechanistic alternatives. Biochim Biophys Acta. Vol. 1767 (3), pp. 244-60.
Roca, M., Messer, B., Warshel, A. (2007). Electrostatic contributions to protein stability and folding energy. FEBS Lett. Vol. 581 (10), pp. 2065-71.
Sucato, C. A., Upton, T. G., Kashemirov, B. A., Batra, V. K., Martinek, V., Xiang, Y., Beard, W. A., Pedersen, L. C., Wilson, S. H., McKenna, C. E., Florian, J., Warshel, A., Goodman, M. F. (2007). Modifying the beta,gamma leaving-group bridging oxygen alters nucleotide incorporation efficiency, fidelity, and the catalytic mechanism of DNA polymerase beta. Biochemistry. Vol. 46 (2), pp. 461-71.
Klähn, M., Rosta, E., Warshel, A. (2006). On the mechanism of hydrolysis of phosphate monoesters dianions in solutions and proteins. Journal of the American Chemical Society. Vol. 128, pp. 15310-15323.
Warshel, A., Sharma, P. K., Kato, M., Parson, W. W. (2006). Modeling electrostatic effects in proteins. Biochimica Et Biophysica Acta-Proteins and Proteomics. Vol. 1764, pp. 1647-1676.
Kato, M., Pisliakov, A. V., Warshel, A. (2006). The barrier for proton transport in aquaporins as a challenge for electrostatic models: The role of protein relaxation in mutational calculations. Proteins - Structure Function and Bioinformatics. Vol. 64 (4), pp. 829-844.
Warshel, A., Sharma, P. K., Kato, M., Xiang, Y., Liu, H. B., Olsson, M. H. (2006). Electrostatic basis for enzyme catalysis. Chemical Reviews. Vol. 106, pp. 3210-3235.
Hong, G., Rosta, E., Warshel, A. (2006). Using the constrained DFT approach in generating diabatic surfaces and off diagonal empirical valence bond terms for modeling reactions in condensed phases. Journal of Physical Chemistry B. Vol. 110, pp. 19570-19574.
Olsson, M. H., Mavri, J., Warshel, A. (2006). Transition state theory can be used in studies of enzyme catalysis: lessons from simulations of tunnelling and dynamical effects in lipoxygenase and other systems. Philosophical Transactions of the Royal Society B-Biological Sciences. Vol. 361, pp. 1417-1432.
Xiang, Y., Oelschlaeger, P., Florian, J., Goodman, M. F., Warshel, A. (2006). Simulating the effect of DNA polymerase mutations on transition-state energetics and fidelity: Evaluating amino acid group contribution and allosteric coupling for ionized residues in human pol beta. Biochemistry. Vol. 45, pp. 7036-7048.
Olsson, M. H., Parson, W. W., Warshel, A. (2006). Dynamical contributions to enzyme catalysis: Critical tests of a popular hypothesis. Chemical Reviews. Vol. 106 (5), pp. 1737-1756.
Burykin, A., Warshel, A. (2006). Membranes assembled from narrow carbon nanotubes block proton transport and can form effective nano-filtration devices. Journal of Computational and Theoretical Nanoscience. Vol. 3, pp. 237-242.
Kato, M., Warshel, A. (2006). Using a charging coordinate in studies of ionization induced partial unfolding. Journal of Physical Chemistry B. Vol. 110, pp. 11566-11570.
Olsson, M. H., Warshel, A. (2006). Monte Carlo simulations of proton pumps: On the working principles of the biological valve that controls proton pumping in cytochrome c oxidase. Proceedings of the National Academy of Sciences of the United States of America. Vol. 103, pp. 6500-6505.
Warshel, A. (2006). Towards Accurate Ab Initio QM/MM Calculations of Free-Energy Profiles of Enzymatic Reactions. J. Phys. Chem. B. Vol. 110, pp. 2934-2941.
Kato, M., Warshel, A. (2005). Through the Channel and around the Channel: Validating and Comparing Microsxopic Approaches for the Evaluation of Free Engergy Profiles for Ion Penetration through Ion Channels. J. Phys. Chem. B. Vol. 109 (41), pp. 19516-19522.
Sharma, P. K., Xiang, Y., Kato, M., Warshel, A. (2005). What Are the Roles of Substrate-Assisted Catalysis and Proximity Effects in Peptide Bond Formation by the Ribosome. Biochemistry. Vol. 44 (34), pp. 11307-11314.
Klahn, M., Braun-Sand, S., Rosta, E., Warshel, A. (2005). On Possible Pitfalls in ab Initio Quantum Mechanics/Molecular Mechanics Minimization Approaches for Studies of Enzymatic Reactions. J. Phys. Chem. B. Vol. 109, pp. 15645-15650.
Olsson, M. H., Sharma, P. K., Warshel, A. (2005). Simulating Redox Coupled Proton Transfer in Cytochrome c Oxidase: Looking for the Proton Bottleneck. FEBS Letters. Vol. 579 (10), pp. 2026-2034.
Florián, J., Goodman, M. F., Warshel, A. (2005). Computer simulations of Protein Functions: Searching for the Molecular Orgin of the Replication Fidelity of DNA Polymerases. Proc. Natl. Acad. Sci. USA.. Vol. 102 (19), pp. p.1026819-6824.
Warshel, A. (2005). Inverting the selectivity of aquaporin 6: Gating versus direct electrostatic interaction. Proc. Natl. Acad. Sci. USA. Vol. 102, pp. 1812-1813.
Braun-Sand, S., Burykin, A., Chu, Z. T., Warshel, A. (2005). Realistic Simulations of Proton Transport Along the Gramicidin Channel: Demostrating the Inportance of Solvation Effects. J. Phys. Chem. B.. Vol. 109, pp. 583-592.
Braun-Sand, S., Olsson, M. H., Warshel, A. (2005). Computer Modeling of Enzyme Catalysis and its Relationship to Concepts in Physical Organic Chemistry. Advances in Physical Organic Chemistry. Vol. 40, pp. 201.
Shurki, A., Warshel, A. (2004). Why does the Ras Switch 'Break' By Oncogenic Mutations?. PROTEINS: Structure, Function and Genetics. Vol. 55, pp. 1-10.
Strajbl, M., Shurki, A., Warshel, A. (2003). Converting conformational changes to electrostatic energy in molecular motors: Thge energetics of ATP synthase. Proc. Natl. Acad. Sci. USA.. Vol. 100, pp. 14834-14839.
Warshel, A. (2003). Computer Simulations of Enzyme Catalysis: Methods, Progress and Insights. Annu. Rev. Biophys. Biomol. Struct.. Vol. 32, pp. 425-443.
Burykin, A., Kato, M., Warshel, A. (2003). Exploring the origiin of the ion selectivity of the KcsA potassium channel. PROTEINS: Structure, Function and Genetics. Vol. 52, pp. 412-426.
 

Guest Lectures in Courses
549: Protein Chemistry Gave lecrures on Enzyme Catlysis in a course tought by Langen and Qin, Spring 2006   
 

New Courses Developed
Enzyme Modeling, School of Biotechnology, and Stockholm, Special Course on Modeling Enzyme Reactions in the Royal Institute of Technology ,School of Biotechnology, and Stockholm., Spring 2006   
 

Honors and Awards
National Academy Member, 4/28/2009-  
Elected fellow of the Biophysical Society , 2000-  
Elected Fellow of the Royal Society of Chemistry (FRSC) , 2008  
Very High Citations (H-Idex of 87) and about 25,000 citations, 2007-2008   
2006 ISQBP President's award in compuational biology, 2006-2007   
Tolman Medal, top award given by the Southern California Section of the American Chemical Society in recognition of excellence in research, 2003  
 

Service to the University

Committees
Member, High Performance Computations, 2002-  
Member, Faculty Tenure & Privileges Appeals, 2007-2010  
Sabbatical, Spring 2007   
Member, Research Comittee, 2002-2005  
 

Review Panels
NIH, National center for biocomputing, 05/2004-  
NIH, Special review pannel on a progarm project on ikb/NF kB recognition, 03/2004-  
NIH, ZRG1 BCMB-Q study section, 2006-2007  
 

Service to the Profession

Committees
Member, Faculty Tenure & Privileges Appeals, 09/2007-09/2010  
 

Conferences Organized
Chair , ACS Symposiuom on Enzymes , 2004-2005   
 

Editorships and Editorial Boards
Associated editor, Journal of Computational and Theoretical Nanoscience, 2002-  
Associated editor, Thoretical Chemistry accounts, 2000-  
Associate Editor, PROTEINS, 1998-  
 

Review Panels
NIH, National center for biocomputing, 05/2004-  
NIH, Special review pannel on a progarm project on ikb/NF kB recognition, 03/2004-  
NIH, ZRG1 BCMB-Q study section, 2006-2007  
 
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